SCHEMBL7070729

SCHEMBL7070729

CC(C)C(C)(C#N)NC(=O)c1snc(Cl)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36
MAPK1 P28482 1/20 0.36
NPY2R P49146 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7071481 0.87 ANO1 (0.37) ALDH1A1HTTSMN1; SMN2KMT2AANO1
SCHEMBL7807244 0.71 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7069265 0.69 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7817846 0.69 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7807177 0.68 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7214349 0.67 POLB (0.47) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL8443773 0.64 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7213661 0.63 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AANO1
SCHEMBL7213607 0.63 POLB (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAKDM4E
SCHEMBL7220101 0.62 HPGD (0.46) ALDH1A1HTTSMN1; SMN2MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552056-B2 Bactericides; fungicides; miticides; nematocides; for agriculture NIHON BAYER AGROCHEM K.K. (JP) 2003-04-22 US disclosed
US-20030013750-A1 Isothiazolecarboxamides and their use as microbicides NIHOM BAYER AGROCHEM K.K. (JP) 2003-01-16 US disclosed
EP-1185519-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-13 EP disclosed
WO-2000073290-A1 ISOTHIAZOLECARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-12-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013750-A1 Isothiazolecarboxamides and their use as microbicides MCL1, MSR1, MPO ALDH1A1 591/4885HTT 4639/4885SMN1; SMN2 4471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.